N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide

C28H24FNO3S — CID 21476639

IUPACN,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide
SMILESCc1ccc(C(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1F
InChIInChI=1S/C28H24FNO3S/c1-21-12-13-25(18-27(21)29)28(31)24-14-16-26(17-15-24)34(32,33)30(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23/h2-18H,19-20H2,1H3
InChIKeyYNVGQUMDIKHFRC-UHFFFAOYSA-N
MW473.57 g/mol
LogP5.76
Rot. Bonds8

About N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide

N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide (PubChem CID 21476639) has the molecular formula C28H24FNO3S and a molecular weight of 473.57 g/mol. Its IUPAC name is N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide
PubChem CID21476639
Molecular FormulaC28H24FNO3S
Molecular Weight473.57 g/mol
Exact Mass473.15
IUPAC NameN,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide
SMILESCc1ccc(C(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1F
InChIInChI=1S/C28H24FNO3S/c1-21-12-13-25(18-27(21)29)28(31)24-14-16-26(17-15-24)34(32,33)30(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23/h2-18H,19-20H2,1H3
InChIKeyYNVGQUMDIKHFRC-UHFFFAOYSA-N
XLogP5.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide?
The IUPAC name of N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide (CID 21476639) is N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide is Cc1ccc(C(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1F.
What is the InChIKey of N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide?
The InChIKey is YNVGQUMDIKHFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO3S/c1-21-12-13-25(18-27(21)29)28(31)24-14-16-26(17-15-24)34(32,33)30(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23/h2-18H,19-20H2,1H3.
What are the key properties of N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide?
N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide has a molecular weight of 473.57 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-(3-fluoro-4-methylbenzoyl)benzenesulfonamide is sourced from PubChem (CID 21476639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).